4-chloro-5-methylideneoctane

C9H17Cl — CID 56986746

IUPAC4-chloro-5-methylideneoctane
SMILESC=C(CCC)C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-4-6-8(3)9(10)7-5-2/h9H,3-7H2,1-2H3
InChIKeyIRKHBTBSYZETOI-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds5

About 4-chloro-5-methylideneoctane

4-chloro-5-methylideneoctane (PubChem CID 56986746) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 4-chloro-5-methylideneoctane.

Molecular Properties

Compound Name4-chloro-5-methylideneoctane
PubChem CID56986746
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name4-chloro-5-methylideneoctane
SMILESC=C(CCC)C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-4-6-8(3)9(10)7-5-2/h9H,3-7H2,1-2H3
InChIKeyIRKHBTBSYZETOI-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(chloromethyl)hex-1-ene
CID 24972007
4-chloro-2-methyl-3-methylideneheptane
CID 56988326
5-chloro-4-methylideneoct-1-ene
CID 57069417
1-iodo-2-methylidenepentan-1-ol
CID 90371441
(4R)-4-chloro-2-iodohept-1-ene
CID 154992040
2,3-dimethyl-4-methylideneheptane
CID 123725003
4,7-dimethylidenedecane
CID 543440
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
CID 141178163
4-methyl-5-methylidenenonane
CID 123995801
N-methyl-4-methylideneheptan-3-amine
CID 166854127
4,5-dimethylideneoctane
CID 13294231

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylideneoctane?
The IUPAC name of 4-chloro-5-methylideneoctane (CID 56986746) is 4-chloro-5-methylideneoctane.
What is the SMILES notation for 4-chloro-5-methylideneoctane?
The canonical SMILES for 4-chloro-5-methylideneoctane is C=C(CCC)C(Cl)CCC.
What is the InChIKey of 4-chloro-5-methylideneoctane?
The InChIKey is IRKHBTBSYZETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-4-6-8(3)9(10)7-5-2/h9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-methylideneoctane?
4-chloro-5-methylideneoctane has a molecular weight of 160.69 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylideneoctane is sourced from PubChem (CID 56986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).